9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene

C17H12BrClO — CID 150186043

IUPAC9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene
SMILESClc1ccc2c(c1)OCc1cc3c(cc1-2)CCC(Br)=C3
InChIInChI=1S/C17H12BrClO/c18-13-2-1-10-7-16-12(5-11(10)6-13)9-20-17-8-14(19)3-4-15(16)17/h3-8H,1-2,9H2
InChIKeyFMLIQYPDVMSZHU-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.58
Rot. Bonds

About 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene

9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene (PubChem CID 150186043) has the molecular formula C17H12BrClO and a molecular weight of 347.64 g/mol. Its IUPAC name is 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene.

Molecular Properties

Compound Name9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene
PubChem CID150186043
Molecular FormulaC17H12BrClO
Molecular Weight347.64 g/mol
Exact Mass345.98
IUPAC Name9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene
SMILESClc1ccc2c(c1)OCc1cc3c(cc1-2)CCC(Br)=C3
InChIInChI=1S/C17H12BrClO/c18-13-2-1-10-7-16-12(5-11(10)6-13)9-20-17-8-14(19)3-4-15(16)17/h3-8H,1-2,9H2
InChIKeyFMLIQYPDVMSZHU-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene?
The IUPAC name of 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene (CID 150186043) is 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene.
What is the SMILES notation for 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene?
The canonical SMILES for 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene is Clc1ccc2c(c1)OCc1cc3c(cc1-2)CCC(Br)=C3.
What is the InChIKey of 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene?
The InChIKey is FMLIQYPDVMSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO/c18-13-2-1-10-7-16-12(5-11(10)6-13)9-20-17-8-14(19)3-4-15(16)17/h3-8H,1-2,9H2.
What are the key properties of 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene?
9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene has a molecular weight of 347.64 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-chloro-10,11-dihydro-6H-naphtho[2,3-c]chromene is sourced from PubChem (CID 150186043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).